Crystallography Open Database: Information card for 1501969

Structure parameters

Formula	C35 H38 Cl N O2
Calculated formula	C35 H38 Cl N O2
Title of publication	NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals.
Authors of publication	Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	5
Pages of publication	1068 - 1071
a	10.9327 ± 0.0005 Å
b	19.6472 ± 0.0009 Å
c	27.9312 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	5999.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Hermann-Mauguin symmetry space group	P b c a
Hall symmetry space group	-P 2ac 2ab
Residual factor for all reflections	0.1328
Residual factor for observed reflections	0.0524
Weighted residual factors for the observed reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for observed reflections	0.954
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Crystallography Open Database